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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4621 11752 1 OC7H16 AB7C16 -85.14 1.99 -10.06 2.94 0
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4622 11753 2 OC10H15 AB10C15 -107.94 5.02 -9.82 -0.22 0
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4623 11754 1 OC27H44 AB27C44 -114.87 4.09 -9.36 0.76 0
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4624 11758 1 ON2C6H14 AB2C6D14 -23.5 4.5 -9.14 0.55 0
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4625 11761 1 N2O4H6C7 A2B4C6D7 14.54 7.7 -10.84 -1.89 0
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4626 11764 2 NO2H3C5 AB2C3D5 43.47 9.43 -10.26 -2.12 0
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4627 11765 1 ClN3H20C21 AB3C20D21 66.41 8.41 -7.87 -1.59 0
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4628 11767 1 NO2H9C14 AB2C9D14 58.55 5.12 -9.03 -1.71 0
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4629 11768 1 O5H8C14 A5B8C14 -135.36 2.23 -9.36 -1.72 0
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4630 11772 1 N3H5C7O7 A3B5C7D7 -39.64 3.32 -11.33 -2.54 0
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4631 11773 1 AsH15C18 AB15C18 99.44 0.53 -8.72 0.21 0
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4632 11774 1 BiH15C18 AB15C18 137.58 0.66 -8.83 0.24 0
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4633 11775 1 NH15C18 AB15C18 79.98 0.07 -7.99 0.03 0
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4634 11783 1 N2O2C7H8 A2B2C7D8 9.74 5.87 -9.04 -1.17 0
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4635 11784 1 ClNO3H4C6 ABC3D4E6 -36.54 3.69 -9.82 -1.77 0
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4636 11785 2 OC17H25 AB17C25 -141.28 2.38 -9.29 -0.55 0
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4637 11786 1 O2C29H48 A2B29C48 -166.97 2.41 -9.12 0.96 0
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4638 11789 2 H7C10 A7B10 80.34 0.14 -8.77 -0.48 0
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4639 11792 2 INC12H19 ABC12D19 29.02 20.88 -6.66 -1.0 0
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4640 11793 2 NC12H19 AB12C19 97.62 5.2 -5.79 0.7 2
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4641 11794 2 C8H13 A8B13 -39.09 0.4 -8.6 0.78 0
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4642 11795 4 H3C4 A3B4 63.75 0.15 -8.8 -0.43 0
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4643 11797 14 CH AB 28.75 0.75 -9.19 0.36 0
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4644 11798 2 NOH5C7 ABC5D7 -19.05 2.21 -8.83 -1.39 0
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4645 11799 2 O2C7H9 A2B7C9 -173.49 4.09 -10.26 -0.79 0
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4646 11801 1 ClNSO2C12H12 ABCD2E12F12 -42.95 8.23 -9.15 -1.41 0
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4647 11803 2 NO2H3C5 AB2C3D5 35.2 0.09 -10.33 -2.31 0
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4648 11804 1 O3N4C6H6 A3B4C6D6 -101.43 3.98 -9.2 -0.89 0
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4649 11805 3 NOH7C8 ABC7D8 -55.23 0.71 -9.69 -0.88 0
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4650 11807 1 NOC4H11 ABC4D11 -66.57 3.57 -9.69 2.85 0
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4651 11809 1 BrO3N7C24H30 AB3C7D24E30 7.2 2.83 -8.5 -1.11 0
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4652 11810 1 Cl5H5C8 A5B5C8 -22.13 1.88 -9.64 -1.15 0
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4653 11811 2 NO2C5H6 AB2C5D6 -145.45 4.74 -9.16 -1.17 0
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4654 11812 1 O5H6C8 A5B6C8 -190.92 5.98 -10.5 -1.76 0
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4655 11816 3 OH4C5 AB4C5 -62.63 4.64 -9.92 -0.89 0
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4656 11817 1 N3H5C7O7 A3B5C7D7 -18.27 3.64 -11.17 -2.44 0
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4657 11819 1 ClOH7C10 ABC7D10 -13.9 0.97 -8.77 -0.67 0
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4658 11820 1 NOH9C10 ABC9D10 -7.93 4.0 -8.86 -0.8 0
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4659 11821 2 INO3C17H23 ABC3D17E23 -152.89 25.94 -6.9 -0.85 0
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4660 11823 2 NOH4C5 ABC4D5 28.36 6.01 -8.94 -1.27 0
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4661 11827 1 ClOH9C12 ABC9D12 -5.31 1.99 -8.97 -0.45 0
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4662 11828 1 NOH9C10 ABC9D10 27.72 1.1 -8.92 -0.6 0
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4663 11829 1 N2O2H6C9 A2B2C6D9 47.75 3.04 -10.18 -1.83 0
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4664 11830 1 N2O2H6C9 A2B2C6D9 50.67 6.89 -10.11 -1.5 0
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4665 11832 1 N3H17C18 A3B17C18 111.7 3.71 -8.13 -0.98 0
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4666 11833 2 OH4C5 AB4C5 -50.8 5.92 -9.48 -1.03 0
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4667 11834 1 NO3C21H23 AB3C21D23 -64.51 7.79 -9.09 -0.83 0
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4668 11839 1 OBr3H5C7 AB3C5D7 -2.93 1.94 -9.81 -0.92 0
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4669 11844 1 NCl2H5C6 AB2C5D6 5.08 3.32 -8.83 -0.29 0
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4670 11845 3 HIC2 ABC2 77.6 2.05 -9.01 -1.62 0